Download or read book Modelling of Fluid Fragmentation by Molecular Dynamics written by Igor Stepanov and published by LAP Lambert Academic Publishing. This book was released on 2013 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fragmentation is an example of material failure. This is a problem with widespread applications. The fragmentation of liquids is a subset of this field but nevertheless has many applications and yet is scientifically challenging to study. A complete mathematical and physical understanding of fragmentation is currently beyond reach given the complexity involved. The aim of theory is to predict the number of fragments, their size and mass distribution and shape, as well as their velocity and spatial distributions. In the present work, numerous molecular dynamics simulations of fragmentation of expanding Lennard-Jones fluids have been performed. Two types of expansion were considered: that of Holian and Grady, and that of Blink and Hoover. Much larger systems were investigated in comparison with the previous authors (up to 0.54 million particles) and much more initial conditions. The previous authors studied systems with less than 15 000 particles. Statistical and thermal properties of fragments were investigated. The results are compared with simple fragmentation models. This book should be useful for scientists who work in fragmentation phenomena.
Download or read book Molecular Dynamics Simulation of Fluid Systems written by Mingqiu Sun and published by . This book was released on 1994 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Simulation of Fluids written by Richard J. Sadus and published by Elsevier. This book was released on 2002-05-17 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to examine some of the important aspects of recent progress in the use of molecular simulation for investigating fluids. It encompasses both Monte Carlo and molecular dynamic techniques providing details of theory, algorithms and implementation.
Download or read book Fragmentation of Suddenly Heated Liquids written by James Allen Blink and published by . This book was released on 1984 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular dynamics simulation in arbitrary geometries for nanoscale fluid mechanics written by Graham Bruce Macpherson and published by . This book was released on 2008 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Development of a Molecular Dynamics continuum Hybrid Computation for Modeling Fluid Flows written by Sean T. O'Connell and published by . This book was released on 1995 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nonequilibrium Molecular Dynamics written by Billy D. Todd and published by Cambridge University Press. This book was released on 2017-03-10 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
Download or read book Integrated Computational Materials Engineering ICME for Metals written by Mark F. Horstemeyer and published by John Wiley & Sons. This book was released on 2012-06-07 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: State-of-the-technology tools for designing, optimizing, and manufacturing new materials Integrated computational materials engineering (ICME) uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. Increasingly, ICME is the preferred paradigm for design, development, and manufacturing of structural products. Written by one of the world's leading ICME experts, this text delivers a comprehensive, practical introduction to the field, guiding readers through multiscale materials processing modeling and simulation with easy-to-follow explanations and examples. Following an introductory chapter exploring the core concepts and the various disciplines that have contributed to the development of ICME, the text covers the following important topics with their associated length scale bridging methodologies: Macroscale continuum internal state variable plasticity and damage theory and multistage fatigue Mesoscale analysis: continuum theory methods with discrete features and methods Discrete dislocation dynamics simulations Atomistic modeling methods Electronics structures calculations Next, the author provides three chapters dedicated to detailed case studies, including "From Atoms to Autos: A Redesign of a Cadillac Control Arm," that show how the principles and methods of ICME work in practice. The final chapter examines the future of ICME, forecasting the development of new materials and engineering structures with the help of a cyberinfrastructure that has been recently established. Integrated Computational Materials Engineering (ICME) for Metals is recommended for both students and professionals in engineering and materials science, providing them with new state-of-the-technology tools for selecting, designing, optimizing, and manufacturing new materials. Instructors who adopt this text for coursework can take advantage of PowerPoint lecture notes, a questions and solutions manual, and tutorials to guide students through the models and codes discussed in the text.
Download or read book Multiscale Modeling of Particle Interactions written by Michael King and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.
Download or read book Molecular Liquids written by A.J. Barnes and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 594 pages. Available in PDF, EPUB and Kindle. Book excerpt: This ASI was planned to make a major contribution to the teaching of the principles and methods used in liquid phase ~esearch and to encourage the setting up of collaborative projects, as advocated by the European Molecular Liquids Group (secretary: Dr J. Yarwood, University of Durham, U. K. ). During the past five years considerable progress has been made in studying molecular liquids. The undoubted advantages of international collaboration led to the formation of the European Molecular Liquids Group (EMLG) in July 1981. The activities of the EMLG were widely disseminated in a special session of the European Congress on Molecular Spectroscopy (EUCMOS) held in September 1981 (for details, see J. Mol. Structure, 80 (1982) 375 - 421). Following the success of this meeting, it was thought that the aims and objectives of the E~G would be best served by the organisation of a broader-based gathering designed to attract those interested in the study of the structure, dynamics and interactions in the liquid state. Thanks to the generous support by the Scientific Affairs Division of NATO, it was possible to hold a NATO ASI on Molecular Liquids at the Italian Centre of Stanford University, Florence, Italy during June-July 1983. This book is based on the lectures presented at that meeting. The contents of this volume cover the three broad areas of current liquid phase research: (a) Analytical theory.
Download or read book Experimental and Molecular Dynamics Simulation Studies of Liquid Mutual Diffusion Coefficients written by Johnnie M. Stoker and published by . This book was released on 1989 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation Studies of Liquid Water and Aqueous Ionic Solutions written by James Edward Roberts and published by . This book was released on 1995 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation of Self diffusion in Hard disk Fluids written by Dong-Pao Chou and published by . This book was released on 1980 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics of Supercritical Fluids written by Peihao Sun and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Supercritical fluids have received renewed interest in the past few decades because of their industrial applications. Underlying many of these applications is the high tunability of the fluid properties in the near-critical region, which is not captured by the widely held notion of the supercritical state as a single broad continuum. In fact, recent works show that the supercritical region can be divided into liquid-like and gas-like states based on thermodynamic and transport properties with a rapid crossover at the Widom line. However, the picture is less clear when it comes to the microscopic dynamics due to a lack of experimental data and physical understanding of the molecular-scale dynamics in the supercritical state. This dissertation focuses on this problem and contains two main parts. In the first part, a combination of inelastic X-ray scattering measurements and molecular dynamics (MD) simulations is used to study supercritical water. The results show that, contrary to commonly used models, there exist two components in the intermolecular dynamics, and it is the ratio between them that changes rapidly at the Widom line and drives the liquid-like to gas-like transition. In the second part, three additional systems--silicon, tellurium, and the Lennard-Jones fluid--are investigated via MD simulations, and the two-component behavior is found to be universal among these systems. The fraction of the liquid-like component is quantified and found to correlate with the degree of intermolecular bonding. The consequences of the two-component phenomenon for modeling supercritical fluid properties will be discussed.
Download or read book Particle Methods for Multi Scale and Multi physics written by Moubin E. T. Al LIU and published by World Scientific. This book was released on 2015-12-28 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multi-scale and multi-physics modeling is useful and important for all areas in engineering and sciences. Particle Methods for Multi-Scale and Multi-Physics systematically addresses some major particle methods for modeling multi-scale and multi-physical problems in engineering and sciences. It contains different particle methods from atomistic scales to continuum scales, with emphasis on molecular dynamics (MD), dissipative particle dynamics (DPD) and smoothed particle hydrodynamics (SPH). This book covers the theoretical background, numerical techniques and many interesting applications of the particle methods discussed in this text, especially in: micro-fluidics and bio-fluidics (e.g., micro drop dynamics, movement and suspension of macro-molecules, cell deformation and migration); environmental and geophysical flows (e.g., saturated and unsaturated flows in porous media and fractures); and free surface flows with possible interacting solid objects (e.g., wave impact, liquid sloshing, water entry and exit, oil spill and boom movement). The presented methodologies, techniques and example applications will benefit students, researchers and professionals in computational engineering and sciences --
Download or read book From Multiscale Modeling to Meso Science written by Jinghai Li and published by Springer Science & Business Media. This book was released on 2013-03-22 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale modeling is becoming essential for accurate, rapid simulation in science and engineering. This book presents the results of three decades of research on multiscale modeling in process engineering from principles to application, and its generalization for different fields. This book considers the universality of meso-scale phenomena for the first time, and provides insight into the emerging discipline that unifies them, meso-science, as well as new perspectives for virtual process engineering. Multiscale modeling is applied in areas including: multiphase flow and fluid dynamics chemical, biochemical and process engineering mineral processing and metallurgical engineering energy and resources materials science and engineering Jinghai Li is Vice-President of the Chinese Academy of Sciences (CAS), a professor at the Institute of Process Engineering, CAS, and leader of the EMMS (Energy-minimizing multiscale) Group. Wei Ge, Wei Wang, Ning Yang and Junwu Wang are professors at the EMMS Group, part of the Institute of Process Engineering, CAS. Xinhua Liu, Limin Wang, Xianfeng He and Xiaowei Wang are associate professors at the EMMS Group, part of the Institute of Process Engineering, CAS. Mooson Kwauk is an emeritus director of the Institute of Process Engineering, CAS, and is an advisor to the EMMS Group.
Download or read book Molecular Dynamics Simulations in Bulk Liquids and at Liquid Surfaces written by Ilya Chorny and published by . This book was released on 2003 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt:
